benzyl 3-pyrazin-2-yloxypyrrolidine-1-carboxylate

C16H17N3O3 — CID 90636253

IUPACbenzyl 3-pyrazin-2-yloxypyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(Oc2cnccn2)C1
InChIInChI=1S/C16H17N3O3/c20-16(21-12-13-4-2-1-3-5-13)19-9-6-14(11-19)22-15-10-17-7-8-18-15/h1-5,7-8,10,14H,6,9,11-12H2
InChIKeyTWIJKZRSMYPARQ-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.27
Rot. Bonds4

About benzyl 3-pyrazin-2-yloxypyrrolidine-1-carboxylate

benzyl 3-pyrazin-2-yloxypyrrolidine-1-carboxylate (PubChem CID 90636253) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is benzyl 3-pyrazin-2-yloxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-pyrazin-2-yloxypyrrolidine-1-carboxylate
PubChem CID90636253
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Namebenzyl 3-pyrazin-2-yloxypyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(Oc2cnccn2)C1
InChIInChI=1S/C16H17N3O3/c20-16(21-12-13-4-2-1-3-5-13)19-9-6-14(11-19)22-15-10-17-7-8-18-15/h1-5,7-8,10,14H,6,9,11-12H2
InChIKeyTWIJKZRSMYPARQ-UHFFFAOYSA-N
XLogP2.27
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid
CID 134496966
benzyl 3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carboxylate
CID 121017645
1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 100753789
[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753458
[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753463
(E)-3-phenyl-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)prop-2-en-1-one
CID 90636129
naphthalen-1-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636125
ethyl 2-oxo-2-(3-pyrazin-2-yloxypyrrolidin-1-yl)acetate
CID 90636072
(4-pyrazin-2-yloxypiperidin-1-yl)-pyridin-2-ylmethanone
CID 71799257
benzyl (3R)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate
CID 129379459
3-methyl-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]but-2-en-1-one
CID 100753672
(4-phenyloxan-4-yl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone
CID 100753527

Frequently Asked Questions

What is the IUPAC name of benzyl 3-pyrazin-2-yloxypyrrolidine-1-carboxylate?
The IUPAC name of benzyl 3-pyrazin-2-yloxypyrrolidine-1-carboxylate (CID 90636253) is benzyl 3-pyrazin-2-yloxypyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 3-pyrazin-2-yloxypyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 3-pyrazin-2-yloxypyrrolidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(Oc2cnccn2)C1.
What is the InChIKey of benzyl 3-pyrazin-2-yloxypyrrolidine-1-carboxylate?
The InChIKey is TWIJKZRSMYPARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-16(21-12-13-4-2-1-3-5-13)19-9-6-14(11-19)22-15-10-17-7-8-18-15/h1-5,7-8,10,14H,6,9,11-12H2.
What are the key properties of benzyl 3-pyrazin-2-yloxypyrrolidine-1-carboxylate?
benzyl 3-pyrazin-2-yloxypyrrolidine-1-carboxylate has a molecular weight of 299.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-pyrazin-2-yloxypyrrolidine-1-carboxylate is sourced from PubChem (CID 90636253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).